3-methyl-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-N-propan-2-ylbutan-1-amine

C16H31NOS — CID 81023417

IUPAC3-methyl-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCCC(C)(C)C1CCOC2(CCSC2)C1
InChIInChI=1S/C16H31NOS/c1-13(2)17-8-6-15(3,4)14-5-9-18-16(11-14)7-10-19-12-16/h13-14,17H,5-12H2,1-4H3
InChIKeyRAJHYQZGXAHXAQ-UHFFFAOYSA-N
MW285.50 g/mol
LogP3.70
Rot. Bonds5

About 3-methyl-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-N-propan-2-ylbutan-1-amine

3-methyl-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-N-propan-2-ylbutan-1-amine (PubChem CID 81023417) has the molecular formula C16H31NOS and a molecular weight of 285.50 g/mol. Its IUPAC name is 3-methyl-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name3-methyl-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-N-propan-2-ylbutan-1-amine
PubChem CID81023417
Molecular FormulaC16H31NOS
Molecular Weight285.50 g/mol
Exact Mass285.21
IUPAC Name3-methyl-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCCC(C)(C)C1CCOC2(CCSC2)C1
InChIInChI=1S/C16H31NOS/c1-13(2)17-8-6-15(3,4)14-5-9-18-16(11-14)7-10-19-12-16/h13-14,17H,5-12H2,1-4H3
InChIKeyRAJHYQZGXAHXAQ-UHFFFAOYSA-N
XLogP3.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.50
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-amine
CID 81014334
3-methyl-3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-N-propylbutan-1-amine
CID 81023004
N-(6-oxa-2-thiaspiro[4.5]decan-9-ylmethyl)propan-2-amine
CID 79915541
2-(1-oxaspiro[5.5]undecan-4-yl)-4-(propan-2-ylamino)butan-2-ol
CID 79909298
2-methyl-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-N-propan-2-ylpropan-1-amine
CID 79922745
2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)hex-5-en-2-ol
CID 104656218
N-tert-butyl-3-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methylbutan-1-amine
CID 81026781
N-[cyclobutyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 79914136
4-methyl-4-(6-oxaspiro[4.5]decan-9-yl)-N-propylpentan-2-amine
CID 79923273
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-1-phenylethanol
CID 79899148
N-[cyclopentyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]ethanamine
CID 79914457
N-(4-methylpentyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79895208

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-N-propan-2-ylbutan-1-amine?
The IUPAC name of 3-methyl-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-N-propan-2-ylbutan-1-amine (CID 81023417) is 3-methyl-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 3-methyl-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 3-methyl-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-N-propan-2-ylbutan-1-amine is CC(C)NCCC(C)(C)C1CCOC2(CCSC2)C1.
What is the InChIKey of 3-methyl-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-N-propan-2-ylbutan-1-amine?
The InChIKey is RAJHYQZGXAHXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NOS/c1-13(2)17-8-6-15(3,4)14-5-9-18-16(11-14)7-10-19-12-16/h13-14,17H,5-12H2,1-4H3.
What are the key properties of 3-methyl-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-N-propan-2-ylbutan-1-amine?
3-methyl-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-N-propan-2-ylbutan-1-amine has a molecular weight of 285.50 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 81023417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).